2-chloro-5-hydrazinylbenzoic acid hydrochloride

• ChemBase ID: 230427
• Molecular Formular: C7H8Cl2N2O2
• Molecular Mass: 223.05662
• Monoisotopic Mass: 221.99628287
• SMILES: c1(C(=O)O)c(ccc(c1)NN)Cl.Cl
• Canonical SMILES: NNc1ccc(c(c1)C(=O)O)Cl.Cl
• InChI: InChI=1S/C7H7ClN2O2.ClH/c8-6-2-1-4(10-9)3-5(6)7(11)12;/h1-3,10H,9H2,(H,11,12);1H
• InChIKey: LYSZNCNDYFXUJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-hydrazinylbenzoic acid hydrochloride
• IUPAC Traditional name: 2-chloro-5-hydrazinylbenzoic acid hydrochloride
• Synonyms: 2-chloro-5-hydrazinobenzoic acid hydrochloride

Database IDs

• MDL Number: MFCD08087438
• PubChem SID: 164286337
• PubChem CID: 16495725

CALCULATED PROPERTIES

• Acid pKa: 3.4702957
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.29940015
• LogD (pH = 7.4): -1.6491575
• Log P: -0.012769212
• Molar Refractivity: 47.8257 cm^3
• Polarizability: 17.181604 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 228 - 230°C
• Hydrophobicity(logP): 1.602

Product Information

• Purity: 95%
• Salt Data: HCl